ATOM 17
1 C5x C 23.7109 -18.3964
2 C2x C 23.7109 -19.7962
3 C2x C 24.9261 -20.4961
4 C1x C 24.9261 -17.6965
5 C1y C 26.1342 -18.3964
6 N1y N 26.1281 -19.7962
7 C1x C 27.3374 -20.5012
8 C1y C 28.5527 -19.8065
9 C1x C 28.5587 -18.4067
10 C1y C 27.3494 -17.7018
11 C1y C 28.5536 -16.9895
12 C1x C 29.7556 -19.0963
13 N1x N 29.7696 -17.6753
14 O5x O 22.4949 -17.6965
15 C1b C 28.5466 -15.5897
16 C2b C 29.7556 -14.8898
17 C2a C 30.9645 -15.5897
BOND 19
1 7 8 1
2 8 9 1 #Up
3 10 9 1 #Up
4 10 5 1
5 10 11 1
6 1 2 1
7 8 12 1
8 2 3 2
9 11 13 1
10 13 12 1
11 3 6 1
12 1 14 2
13 5 4 1
14 4 1 1
15 11 15 1 #Up
16 5 6 1
17 15 16 1
18 6 7 1
19 16 17 2
|